Geometry & MOs

Info

ID:	316146
PubChem CID:	126630207
Reduced:	N5O5C30H41 (1)
Stoich.:	A5B5C30D41 (1)
Weight, g/mol:	374.136553
ΔH_f, kcal/mol:	-184.88
Dipole, Da:	4.16
IP(EA), eV:	-8.94(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[hydroxy-[4-hydroxy-3-(hydroxymethyl)phenyl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

Drug info:

PubChemData

Smile

CCC1=NC2=C(C=CC(=C2)/C=C/[C@H](CC)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)N3CCCC(N3)C(=O)O)C=C1

DOS

IR

Vibrations